Novel Strongly Correlated Europium Superhydrides
We conducted a joint experimental-theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86-130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic EuH , hexagonal EuH , and an unexpected cubic ( 3 ) clathrate...
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Veröffentlicht in: | The journal of physical chemistry letters 2021-01, Vol.12 (1), p.32-40 |
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Hauptverfasser: | , , , , , , , , , , , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | We conducted a joint experimental-theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86-130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic EuH
, hexagonal EuH
, and an unexpected cubic (
3
) clathrate phase, Eu
H
. Monte Carlo simulations indicate that cubic EuH
has antiferromagnetic ordering with
of up to 24 K, whereas hexagonal EuH
and
3
-Eu
H
possess ferromagnetic ordering with
= 137 and 336 K, respectively. The electron-phonon interaction is weak in all studied europium hydrides, and their magnetic ordering excludes
-wave superconductivity, except, perhaps, for distorted pseudohexagonal EuH
. The equations of state predicted within the DFT+U approach (
were found within linear response theory) are in close agreement with the experimental data. This work shows the great influence of the atomic radius on symmetry-breaking distortions of the crystal structures of superhydrides and on their thermodynamic stability. |
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ISSN: | 1948-7185 1948-7185 |
DOI: | 10.1021/acs.jpclett.0c03331 |